1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol

C16H21F3O — CID 65410943

IUPAC1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCCC1CCC(C(O)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H21F3O/c1-2-11-3-6-13(9-11)15(20)10-12-4-7-14(8-5-12)16(17,18)19/h4-5,7-8,11,13,15,20H,2-3,6,9-10H2,1H3
InChIKeyCIHWPZDYUSBWBU-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.44
Rot. Bonds4

About 1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol

1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 65410943) has the molecular formula C16H21F3O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID65410943
Molecular FormulaC16H21F3O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCCC1CCC(C(O)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H21F3O/c1-2-11-3-6-13(9-11)15(20)10-12-4-7-14(8-5-12)16(17,18)19/h4-5,7-8,11,13,15,20H,2-3,6,9-10H2,1H3
InChIKeyCIHWPZDYUSBWBU-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269
1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 65415744
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-ethylcyclopentyl)ethanol
CID 65409563
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
1-(2-chloro-3-cyclopropylbutyl)-4-(trifluoromethyl)benzene
CID 83149862
1-(2-methylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 107183450
2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol
CID 65412111
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 150463835
2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol
CID 112653481
1-(2-bromo-3-cyclopropylpropyl)-4-(trifluoromethyl)benzene
CID 55224852
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400541

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 65410943) is 1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol is CCC1CCC(C(O)Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is CIHWPZDYUSBWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O/c1-2-11-3-6-13(9-11)15(20)10-12-4-7-14(8-5-12)16(17,18)19/h4-5,7-8,11,13,15,20H,2-3,6,9-10H2,1H3.
What are the key properties of 1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 286.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 65410943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).